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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

NASGRO 3.0: A Software for Analyzing Aging Aircraft

Structural integrity analysis of aging aircraft is a critical necessity in view of the increasing numbers of such aircraft in general aviation, the airlines and the military. Efforts are in progress by NASA, the FAA and the DoD to focus attention on aging aircraft safety. The present paper describes the NASGRO software which is well-suited for effectively analyzing the behavior of defects that may be found in aging aircraft. The newly revised Version 3.0 has many features specifically implemented to suit the needs of the aircraft community. The fatigue crack growth computer program NASA/FLAGRO 2.0 was originally developed to analyze space hardware such as the Space Shuttle, the International Space Station and the associated payloads. Due to popular demand, the software was enhanced to suit the needs of the aircraft industry. Major improvements in Version 3.0 are the incorporation of the ability to read aircraft spectra of unlimited size, generation of common aircraft fatigue load blocks, and the incorporation of crack-growth models which include load-interaction effects such as retardation due to overloads and acceleration due to underloads. Five new crack-growth models, viz., generalized Willenborg, modified generalized Willenborg, constant closure model, Walker-Chang model and the deKoning-Newman strip-yield model, have been implemented. To facilitate easier input of geometry, material properties and load spectra, a Windows-style graphical user interface has been developed. Features to quickly change the input and rerun the problem as well as examine the output are incorporated. NASGRO has been organized into three modules, the crack-growth module being the primary one. The other two modules are the boundary element module and the material properties module. The boundary-element module provides the ability to model and analyze complex two-dimensional problems to obtain stresses and stress-intensity factors. The material properties module allows users to store and curve-fit fatigue-crack growth data. On-line help and documentation are provided for each of the modules. In addition to the popular PC windows version, a unix-based X-windows version of NASGRO is also available. A portable C++ class library called WxWindows was used to facilitate cross-platform availability of the software.

Mettu, S. R.↗
DOE OSTI2023

Effect of off-diagonal elements in the Wannier Hamiltonian on DFT + DMFT for low-symmetry materials: Study of Li 2 MnO 3

Here, we study the effect of the off-diagonal elements of the Wannier Hamiltonian on the electronic structure of the low-symmetry material Li 2 MnO 3 ( C2/m ), using dynamical mean field theory calculations with a continuous-time quantum Monte Carlo impurity solver. The presence of significant off-diagonal elements leads to a pronounced suppression of the energy gap. The off-diagonal elements are largest when the Wannier projection is used based on the global coordinate, and they remain substantial even with the projection using the local coordinate close to the direction of Mn-O bonds. We show that the energy gap is enhanced by the diagonalization of the Mn d block in the full p-d Hamiltonian with the application of a unitary rotation matrix. Additionally, the inclusion of small double counting energy is crucial for achieving the experimental gap by reducing p-d hybridization. Furthermore, we establish the efficiency of a low-energy (d-only basis) model for studying the electronic structure of Li 2 MnO 3 , as the Wannier basis represents a hybridized state of Mn d and O p orbitals. These findings suggest an appropriate approach for investigating low-symmetry materials using the density functional theory plus dynamical mean field theory (DFT + DMFT) method. We also find that the antiferromagnetic ground state $\Gamma$ 2u is stable with U ≤ 2 eV within density functional theory+$U$ calculations, which is much smaller than the widely used U = 5 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2015

Particle Morphology and Elemental Composition of Smoke Generated by Overheating Common Spacecraft Materials

Fire safety in the indoor spacecraft environment is concerned with a unique set of fuels which are designed to not combust. Unlike terrestrial flaming fires, which often can consume an abundance of wood, paper and cloth, spacecraft fires are expected to be generated from overheating electronics consisting of flame resistant materials. Therefore, NASA prioritizes fire characterization research for these fuels undergoing oxidative pyrolysis in order to improve spacecraft fire detector design. A thermal precipitator designed and built for spacecraft fire safety test campaigns at the NASA White Sands Test Facility (WSTF) successfully collected an abundance of smoke particles from oxidative pyrolysis. A thorough microscopic characterization has been performed for ten types of smoke from common spacecraft materials or mixed materials heated at multiple temperatures using the following techniques: SEM, TEM, high resolution TEM, high resolution STEM and EDS. Resulting smoke particle morphologies and elemental compositions have been observed which are consistent with known thermal decomposition mechanisms in the literature and chemical make-up of the spacecraft fuels. Some conclusions about particle formation mechanisms are explored based on images of the microstructure of Teflon smoke particles and tar ball-like particles from Nomex fabric smoke.

Smoke↗
DOE OSTI2023

DFT (and DMFT) for DFT users

The interesting properties of f -electron systems comes from a simultaneous existence of free and discrete level electrons. The challenge we have is to describe free electrons and discrete level electrons equally well in a unified picture. The ELF index can be used to find regions in real space where discrete level physics needs to be taken into account. We have identified the HO gas as a model system that can be used to gain insight about this kind of physics. We will use the HO gas model system for creating a functional suitable for these systems via the subsystem functional scheme. With a predictive capability for the rare earths and lanthindes, we can identify new materials with new/improved properties. This is crucial for, e.g., developing material and technology substitutes for addressing the challenges associated with the use of rare earth elements and other critical materials.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Semiconductor apparatus utilizing gradient freeze and liquid-solid techniques

Transition metals of Group VIII (Co, Rh and Ir) have been prepared as semiconductor compounds with the general formula TSb.sub.3. The skutterudite-type crystal lattice structure of these semiconductor compounds and their enhanced thermoelectric properties results in semiconductor materials which may be used in the fabrication of thermoelectric elements to substantially improve the efficiency of the resulting thermoelectric device. Semiconductor materials having the desired skutterudite-type crystal lattice structure may be prepared in accordance with the present invention by using vertical gradient freezing techniques and/or liquid phase sintering techniques. Measurements of electrical and thermal transport properties of selected semiconductor materials prepared in accordance with the present invention, demonstrated high Hall mobilities (up to 1200 cm.sup.2.V.sup.-1.s.sup.-1) and good Seebeck coefficients (up to 150 .mu.VK.sup.-1 between 300.degree. C. and 700.degree. C.). Optimizing the transport properties of semiconductor materials prepared from elemental mixtures Co, Rh, Ir and Sb resulted in a substantial increase in the thermoelectric figure of merit (ZT) at temperatures as high as 400.degree. C. for thermoelectric elements fabricated from such semiconductor materials.

Fleurial, Jean-Pierre↗
DOE OSTI2021

Nanoporous weakly coordinating anionic frameworks (Final Technical Report)

Under this award, we synthesized and characterized new weakly coordinating, anionic covalent organic frameworks. The motivation was to expand the class of covalent organic frameworks though the introduction of the first weakly coordinating anionic ones. The significance of the weakly coordinating anionic character of these frameworks is associated with the character of the counter (metal) cations in their pores. Those counter-cations, due to the inability to effectively coordinate to the pore walls, have a “naked”, and thus highly electrophilic, Lewis acidic character. Such properties are expected to translate to a number of interesting physical properties that can be potentially used for a range of energy-relevant applications. One of these applications is gas adsorption, separation, and storage. The electrophilic, Lewis acidic character of the counter-cations are expected to strongly bind to gas molecules entering the pores leading to higher gas sorption capacities. Other applications include heterogeneous catalysis, ion exchange, and solid state ion conduction. Within the project we explored a range of chemical blocks, and tested synthesis conditions to polymerize these building blocks to form the target materials. In particular, we focused on materials with group 15 elements like phosphorus in the oxidation state +5 and the coordination number 6, that have a formal -1 charge. The synthesis of such materials is challenging because its success depends on the absence of residual monomeric and oligomeric side-products in the pores, and the absence of significant framework interpenetration. Crystalline forms of these materials require sufficient reversibility of the polymerization reaction (which is difficult to achieve because group 15 elements like P tend to make strong covalent bonds with neighbored elements), as well as suitable polymerization rates that prevent the formation of kinetically controlled products. We had success with the preparation of anionic porous organic frameworks with anionic building blocks containing P(V)O6 octahedra synthesized through Yamamoto coupling reactions. These materials are non-crystalline because of the irreversible nature of the Yamamoto coupling reaction, but show porosity. The porosity and surface area can be significantly increased by co-reaction with electrostatically neutral co-reactants. Very high porosity and surface areas can be achieved when the materials are washed with hydrochloric acid. This method is commonly used to free products from Yamamoto coupling reactions from by-products. Indeed, this method removed by products from the pores of our materials, however it also led to the hydrolysis of the PO6 octahedra to form pending phosphonic acid groups (-PO3H)-groups in the frameworks (PA-POFs) which was actually not desired. Nonetheless, these materials showed high CO2 sorption capacities. In addition, they show extremely high (actually record) sorption capacities for the removal of a range of common micropollutants such as bisphenol A (BPA) and 4-nitrophenol in water. BPA is a wide-spread organic pollutant and a known endocrine disruptor. The maximum adsorption capacity of BPA at equilibrium is found to be as high as 3,366 mg g-1 by Langmuir adsorption model, which is more than 10 times greater than peer materials. The polymer also rapidly removes various other organic micropollutants with more than 90% removal efficiencies. In addition, the PA-POF material can be regenerated at least five times by mild washing using methanol without significant loss in removal efficiency. This is significant advantage over commonly used activated carbon materials (that are in Brita water faucet filters, for example). Comparison studies showed that only materials with the phosphonate groups show extreme sorption although the number of PA group is actually small according to solid state NMR and EDX data. More research would be needed to investigate why this is (a possibility is that the phosphonate groups have a multiplying effect in which a PA-induced initial adsorption leads to the adsorption of much more adsorbate). The extreme sorption capabilities can also be visually seen when colored adsorbates such as 4-nitrophenol are used, as the adsorption of the nitrobenzene leads to the decoloration of the solution. We have produced three short videos that illustrate the sorption capabilities compared to two peer materials (activated carbon from dismantled Brita water filters, and a electrostatically neutral, chemically related, porous organic polymer, respectively).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Rare earth element enrichment in coal and coal-adjacent strata of the Uinta Region, Utah and Colorado

This study aims to quantify rare earth element enrichment within coal and coal-adjacent strata in the Uinta Region of central Utah and western Colorado. Rare earth elements are a subset of critical minerals as defined by the U.S. Geological Survey. These elements are used for a wide variety of applications, including renewable energy technology in the transition toward carbon-neutral energy. While rare earth element enrichment has been associated with Appalachian coals, there has been a more limited evaluation of western U.S. coals. Here, samples from six active mines, four idle/historical mines, four mine waste piles, and seven stratigraphically complete cores within the Uinta Region were geochemically evaluated using portable X-ray fluorescence ( n = 3,113) and inductively coupled plasma-mass spectrometry ( n = 145) elemental analytical methods. Results suggest that 24%–45% of stratigraphically coal-adjacent carbonaceous shale and siltstone units show rare earth element enrichment (>200 ppm), as do 100% of sampled igneous material. A small subset (5%–8%) of coal samples display rare earth element enrichment, specifically in cases containing volcanic ash. This study proposes two multi-step depositional and diagenetic models to explain the enrichment process, requiring the emplacement and mobilization of rare earth element source material due to hydrothermal and other external influences. Historical geochemical evaluations of Uinta Region coal and coal-adjacent data are sparse, emphasizing the statistical significance of this research. These results support the utilization of active mines and coal processing waste piles for the future of domestic rare earth element extraction, offering economic and environmental solutions to pressing global demands.

Coe, Haley H.↗
NASA NTRS1992

Material nonlinear analysis via mixed-iterative finite element method

The performance of elastic-plastic mixed-iterative analysis is examined through a set of convergence studies. Membrane and bending behaviors are tested using 4-node quadrilateral finite elements. The membrane result is excellent, which indicates the implementation of elastic-plastic mixed-iterative analysis is appropriate. On the other hand, further research to improve bending performance of the method seems to be warranted.

Sutjahjo, Edhi↗
NASA NTRS1992

A finite element method for the thermochemical decomposition of polymeric materials. II - Carbon phenolic composites

A previously developed formulation for modeling the thermomechanical behavior of chemically decomposing, polymeric materials is verified by simulating the response of carbon phenolic specimens during two high temperature tests: restrained thermal growth and free thermal expansion. Plane strain and plane stress models are used to simulate the specimen response, respectively. In addition, the influence of the poroelasticity constants upon the specimen response is examined through a series of parametric studies.

Sullivan, R. M.↗
NASA NTRS2011

Micro-Fresnel Zone Plate Optical Devices Using Densely Accumulated Ray Points

An embodiment generally relates to an optical device suitable for use with an optical medium for the storage and retrieval of data. The optical device includes an illumination means for providing a beam of optical radiation of wavelength .lamda. and an optical path that the beam of optical radiation follows. The optical device also includes a diffractive optical element defined by a plurality of annular sections. The plurality of annular sections having a first material alternately disposed with a plurality of annular sections comprising a second material. The diffractive optical element generates a plurality of focal points and densely accumulated ray points with phase contrast phenomena and the optical medium is positioned at a selected focal point or ray point of the diffractive optical element.

Choi, Sang H.↗
DOE OSTI2022

Machine learning guided discovery of ternary compounds involving La and immiscible Co and Pb elements

Abstract Ternary compounds with an immiscible pair of elements are relatively unexplored but promising for novel quantum materials discovery. Exploring what third element and its ratio that can be added to make stable ternary compounds out of an immiscible pair of elements remains a great challenge. In this work, we combine a machine learning (ML) method with ab initio calculations to efficiently search for the energetically favorable ternary La-Co-Pb compounds containing immiscible elements Co and Pb. Three previously reported structures are correctly captured by our approach. Moreover, we predict a ground state La 3 CoPb compound and 57 low-energy La-Co-Pb ternary compounds. Attempts to synthesize La 3 CoPb via multiple techniques produce mixed or multi-phases samples with, at best, ambiguous signals of the predicted lowest-energy La 3 CoPb and the second lowest-energy La 18 Co 28 Pb 3 phases. The calculated results of Gibbs free energy are consistent with experiments, and will provide very useful guidance for further experimental synthesis.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Variable-Resistivity Material For Memory Circuits

Nonvolatile memory elements packed densely. Electrically-erasable, programmable, read-only memory matrices made with newly-synthesized organic material of variable electrical resistivity. Material, polypyrrole doped with tetracyanoquinhydrone (TCNQ), changes reversibly between insulating or higher-resistivity state and conducting or low-resistivity state. Thin film of conductive polymer separates layer of row conductors from layer of column conductors. Resistivity of film at each intersection and, therefore, resistance of memory element defined by row and column, increased or decreased by application of suitable switching voltage. Matrix circuits made with this material useful for experiments in associative electronic memories based on models of neural networks.

Nagasubramanian, Ganesan↗
NASA NTRS1993

Possible dust contamination of the early solar system

Measurements carried out over more than twenty years indicate a deficiency of neutrinos emitted from the deep interior of the Sun in conjunction with the neutrino flux expected from canonical solar models. The early measurements were sensitive only to high-energy neutrinos emitted from B-8 on a minor branch of the energy-producing nuclear reactions in the solar interior. Thus these measurements were not widely considered to be a definitive test of solar physics. However the more recent measurements, which are sensitive to lower energy neutrinos, produced primarily by the p-p reaction on the main energy-producing branch of the solar nuclear reactions, pose a far more significant mystery in physics. One possibility is that the Sun's interior opacity is lower than expected due to a paucity of elements. This paper discusses that the Sun formed from material less abundant in heavy elements than usually believed, and the subsequent contamination due to the settling of surrounding dust brought the abundance of heavy elements - in the protoplanetary nebula, and in the Sun's convective envelope - up to the currently observed value.

Levy, E. H.↗
NASA NTRS2012

Mechanical Characterization of In and Out-of-Autoclave Cured Composite Panels for Large Launch Vehicles

Two manufacturing demonstration panels (1/16th-arc-segments of 10 m diameter cylinder) were fabricated under the composites part of the Lightweight Space Structures and Materials program. Both panels were of sandwich construction with aluminum core and 8-ply quasi-isotropic graphite/epoxy facesheets. One of the panels was constructed with in-autoclave curable unidirectional prepreg (IM7/977-3) and the second with out-of-autoclave unidirectional prepreg (T40-800B/5320-1). Following NDE inspection, each panel was divided into a number of small specimens for material property characterization and a large (0.914 m wide by 1.524 m long) panel for a buckling study. Results from the small specimen tests were used to (a) assess the fabrication quality of each 1/16th arc segment panel and (b) to develop and/or verify basic material property inputs to Finite Element analysis models. The mechanical performance of the two material systems is assessed at the coupon level by comparing average measured properties such as flatwise tension, edgewise compression, and facesheet tension. The buckling response of the 0.914 m wide by 1.524 m long panel provided a comparison between the in- and out-of autoclave systems at a larger scale.

Kellas, Sotiris↗
DOE OSTI2020

Longitudinal unzipping of 2D transition metal dichalcogenides

Unzipping of the basal plane offers a valuable pathway to uniquely control the material chemistry of 2D structures. Nonetheless, reliable unzipping has been reported only for graphene and phosphorene thus far. The single elemental nature of those materials allows a straightforward understanding of the chemical reaction and property modulation involved with such geometric transformations. Here we report spontaneous linear ordered unzipping of bi-elemental 2D MX 2 transition metal chalcogenides as a general route to synthesize 1D nanoribbon structures. The strained metallic phase (1T') of MX 2 undergoes highly specific longitudinal unzipping owing to the self-linearized oxygenation at chalcogenides. Stable dispersions of 1T' MoS 2 nanoribbons with widths of 10–120 nm and lengths up to ~4 µm are produced in water. Edge abundant 1T' MoS 2 nanoribbons reveal the hidden potential of idealized electrocatalysis for hydrogen evolution reactions at a competitive level with the precious Pt catalyst.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fuel element debris pic tool

We would like to release 2 drawings to NIST/NCNR reactor to assist in fuel element cleaning

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2020

Design of a Microgravity Hybrid Inflatable Airlock

Spacewalks, or extra-vehicular activities (EVAs), are a critical component of human space exploration for science activities and habitat construction and maintenance. For NASA's proposed lunar Gateway system, an airlock module is required for vehicle maintenance, repair, and exploration. Traditional airlock structures are fully metallic, with two chambers, known as an equipment lock and a crew lock. The larger volume, called the equipment lock, serves as the storage, logistics and electronics area, while the smaller volume, called the crew lock, serves as the volume to transition from the vacuum of space to the pressurized cabin. A traditional metallic structure design offers mass efficiency for these elements, but cannot offer volume efficiency. The potential to use an inflatable fabric pressure shell supplemented by a metallic support structure allows for efficiency in both mass and volume. Inflatable structures are being used for human habitable space modules, starting with the Bigelow Expandable Activities Module on the International Space Station. They are high-strength fabric-based structures that are compactly stowed for launch and then, once in space, they are expanded and rigidized with internal pressure. They provide significant launch volume savings over metallic structures. For Gateway, a hybrid airlock design is proposed with both metallic and inflatable structural elements, taking advantage of each material's capabilities. A metallic equipment lock serves as both a docking node and provides pressurized volume for pre-EVA activities including pre-breathe and suit donning/doffing. A rigid equipment lock offers stowage space during launch for integrated hardware and suits. Adding an integrated inflatable crew lock provides the volume required for EVAs with minimal use of launch volume. Using dual inflatable crew locks provides redundancy and the capability to move large pieces of equipment into and out of the vehicle for repair and maintenance. The inflatable crew lock is deflated and packaged in the launch shroud and expanded after installation on the Gateway. This packing capability allows additional volume to be added to the equipment lock and fully utilize the capability of the launch vehicle. This report outlines the work completed to design, analyze, and test the systems of a microgravity airlock with inflatable crew locks. In detail, it includes launch vehicles, structural sizing of the metallic equipment lock, the fabric layers of the inflatable crew lock, the internal structure of the crew lock, the space suit interface elements, the crew restraint system, the hatches and pass-throughs, the material and thermal elements, and the crew operations for the usage of the system. This paper is meant to offer a reference design for a hybrid microgravity airlock design for deep space human exploration.

Litteken, Douglas↗